Glycoside
...
GD135834

Name:
3-({6-[14',15'-dimethoxy-3'-({1H,5H-pyrrolo[3,4-b]pyrrol-5-yl}methyl)-8',17'-dioxaspiro[cyclohexane-1,9'-tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadecane]-2',4',6',11'(16'),12',14'-hexaen-4-oneoxy]-3,4,5-trihydroxyoxan-2-yl}methoxy)-3-oxopropanoic acid

Formula:
C38H40O14N2

Smiles:
COc1ccc2c(c1OC)OC1c3c(Cn4cc5cc[nH]c5c4)cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc3OC3(CCC(=O)CC3)C21

Aglycone:
COC(=O)CC(=O)O.COc1ccc2c(c1OC)OC1c3c(Cn4cc5cc[nH]c5c4)cc(O)cc3OC3(CCC(=O)CC3)C21

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 5 FractionCSP3: 0.45
AlogP: 2.73 Num_rotatable_bonds: 10
MolWt: 748.74 Num_heavy_atoms: 54
TPSA: 217.46 NumAromaticRings: 4

Unique Aglycone
AD04733
Formula: C4H6O4

Smiles:
COC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 63.6 NumAromaticRings: 0
AD54919
Formula: C29H28O6N2

Smiles:
COc1ccc2c(c1OC)OC1c3c(Cn4cc5cc[nH]c5c4)cc(O)cc3OC3(CCC(=O)CC3)C21
HBA: 8 RingCount: 7
HBD: 2 FractionCSP3: 0.34
AlogP: 5.23 Num_rotatable_bonds: 4
MolWt: 500.55 Num_heavy_atoms: 37
TPSA: 94.94 NumAromaticRings: 4

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O